Target
Dihydrofolate reductase
Ligand
BDBM50405063
Substrate
n/a
Meas. Tech.
ChEMBL_53000 (CHEMBL858265)
Ki
131.83±n/a nM
Citation
 Marlowe, CKSelassie, CDSanti, DV Quantitative structure-activity relationships of the inhibition of Pneumocystis carinii dihydrofolate reductase by 4,6-diamino-1,2-dihydro-2,2-dimethyl-1-(X-phenyl)-s-triazines. J Med Chem 38:967-72 (1995) [PubMed]  Article 
Target
Name:
Dihydrofolate reductase
Synonyms:
DYR_PNECA | Dihydrofolate Reductase (DHFR) | Dihydrofolate reductase | Dihydrofolate reductase; P. carinii vs rat | Tetrahydrofolate dehydrogenase
Type:
Enzyme
Mol. Mass.:
23891.29
Organism:
Pneumocystis carinii
Description:
n/a
Residue:
206
Sequence:
MNQQKSLTLIVALTTSYGIGRSNSLPWKLKKEISYFKRVTSFVPTFDSFESMNVVLMGRKTWESIPLQFRPLKGRINVVITRNESLDLGNGIHSAKSLDHALELLYRTYGSESSVQINRIFVIGGAQLYKAAMDHPKLDRIMATIIYKDIHCDVFFPLKFRDKEWSSVWKKEKHSDLESWVGTKVPHGKINEDGFDYEFEMWTRDL
  
Inhibitor
Name:
BDBM50405063
Synonyms:
CHEMBL427826
Type:
Small organic molecule
Emp. Form.:
C12H14F3N5
Mol. Mass.:
285.2683
SMILES:
CC1(C)N=C(N)N=C(N)N1c1ccc(cc1)C(F)(F)F |t:3,6|
Structure:
Search PDB for entries with ligand similarity: